Self-Assembling of Multilayered Polymorphs with Ion Beams.

Polymorphism determines significant variations in materials' properties by lattice symmetry variation. If they are stacked together into multilayers, polymorphs may work as an alternative approach to the sequential deposition of layers with different chemical compositions. However, selective polymorph crystallization during conventional thin film synthesis is not trivial; changes of temperature or pressure when switching from one polymorph to another during synthesis may cause degradation of the structural quality.

Impact of Annealing in Various Atmospheres on Characteristics of Tin-Doped Indium Oxide Layers towards Thermoelectric Applications.

The aim of this work was to investigate the possibility of modifying the physical properties of indium tin oxide (ITO) layers by annealing them in different atmospheres and temperatures. Samples were annealed in vacuum, air, oxygen, nitrogen, carbon dioxide and a mixture of nitrogen with hydrogen (NHM) at temperatures from 200 °C to 400 °C. Annealing impact on the crystal structure, optical, electrical, thermal and thermoelectric properties was examined.

Investigation on molecular and biomolecular spectroscopy of the novel 2BCA molecule to analyse its biological activities and binding interaction with nipah viral protein.

The molecule of 2-Biphenyl Carboxylic Acid (2BCA), which contains peculiar features, was explored making use of density functional theory (DFT) and experimental approaches in the area of quantum computational research. The optimised structure, atomic charges, vibrational frequencies, electrical properties, electrostatic potential surface (ESP), natural bond orbital analysis and potential energy surface (PES) were obtained applying the B3LYP approach with the 6-311++ G (d,p) basis set..

Investigating Stable Low-Energy Gallium Oxide (GaO) Polytypes: Insights into Electronic and Optical Properties from First Principles.

This study provides a comprehensive analysis of the electronic and optical properties of low-energy gallium oxide (GaO) polytypes not considered earlier. Among these polytypes, the monoclinic structure (β-GaO) holds significant relevance for both research and practical applications due to its superior stability under typical conditions. The primary aim of this research is to identify new and stable GaO polytypes that may exist under zero-temperature and zero-pressure conditions.

Influence of Post Processing on Thermal Conductivity of ITO Thin Films.

This work presents the influence of post processing on morphology, thermal and electrical properties of indium tin oxide (ITO) thin films annealed at 400 °C in different atmospheres. The commercially available 170 nm thick ITO layers deposited on glass were used as a starting material. The X-ray diffraction measurements revealed polycrystalline structure with dominant signal from (222) plane for all samples.